1-phenyl-5-[(2-piperazin-4-ium-1-ylethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 1-phenyl-5-[(2-piperazin-4-ium-1-ylethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 1-phenyl-5-[(2-piperazin-4-ium-1-ylethylamino)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 1-phenyl-5-[[2-(1-piperazin-4-iumyl)ethylamino]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 1-phenyl-5-[(2-piperazin-4-ium-1-ylethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 1-phenyl-5-[(2-piperazin-4-ium-1-ylethylamino)methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C17H22N5O2S+ MolecularWeight: 360.45388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)CCNC=C2C(=O)NC(=S)N(C2=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH2+]1)CCNC=C2C(=O)NC(=S)N(C2=O)C3=CC=CC=C3

InChI

InChI=1S/C17H21N5O2S/c23-15-14(12-19-8-11-21-9-6-18-7-10-21)16(24)22(17(25)20-15)13-4-2-1-3-5-13/h1-5,12,18-19H,6-11H2,(H,20,23,25)/p+1